Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 7/20 | 0.42 |
| ▸ | CNR1 | P21554 | 4/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | MCOLN3 | Q8TDD5 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4922303 | 0.99 | ALDH1A1 (0.43) | ALDH1A1HPGDCNR2CNR1MCHR1 | |
| SCHEMBL2470396 | 0.86 | CNR2 (0.49) | ALDH1A1CNR2CNR1MAPTCA12 | |
| Hydrochloric Acid SCHEMBL4922430 | 0.85 | POLB (0.48) | ALDH1A1CNR2CNR1MAPTCA12 | |
| SCHEMBL1718081 | 0.81 | DRD3 (0.42) | ALDH1A1SMN1; SMN2MAPTLMNACA12 | |
| SCHEMBL2470902 | 0.81 | HDAC3 (0.49) | ALDH1A1HPGDCNR2MCHR1MCOLN3 | |
| Hydrochloric Acid SCHEMBL4922945 | 0.80 | DRD3 (0.42) | ALDH1A1SMN1; SMN2MAPTLMNACA12 | |
| Hydrochloric Acid SCHEMBL4923250 | 0.80 | HDAC3 (0.48) | ALDH1A1HPGDCNR2MCHR1MCOLN3 | |
| SCHEMBL2470496 | 0.79 | ADRB2 (0.57) | ALDH1A1SMN1; SMN2MAPTLMNAADRB3 | |
| Hydrochloric Acid SCHEMBL4915819 | 0.78 | ADRB2 (0.56) | ALDH1A1SMN1; SMN2MAPTLMNAADRB3 | |
| SCHEMBL2472844 | 0.76 | CNR2 (0.47) | ALDH1A1CNR2CNR1MCOLN3MAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2371814-A1 | Aminoethylaromatic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor | Abbott GmbH & Co. KG (DE) | 2011-10-05 | — | — | EP | disclosed |
| EP-1809597-A1 | AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR | Abbott GmbH & Co. KG (DE) | 2007-07-25 | — | — | EP | disclosed |
| WO-2006040179-A1 | AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR | ABBOTT GMBH & CO. KG (DE) | 2006-04-20 | — | — | WO | disclosed |